Results 221 to 230 of about 702,558 (291)

Molecular Glue Degraders in Early Development for Cancer Therapy

Medicinal Research Reviews, EarlyView.
ABSTRACT Molecular glue degraders are an emerging class of small molecule allosteric modulators that induce or stabilize protein‐protein interactions, enabling targeted degradation of previously intractable proteins. By redirecting E3 ligases to recognize neosubstrates, proteins that are not typically recognized by a specific E3 ubiquitin ligase, they ...
E. Sila Ozdemir, Hyunbum Jang, Ozlem Keskin, Attila Gursoy, Ruth Nussinov   +4 more
wiley   +1 more source

Repurposing antimicrobial agents for neuroprotection: Mechanisms, clinical potential, and challenges

Neuroprotection, EarlyView.
Antimicrobial agents exert neuroprotective effects through modulation of interconnected pathways. Tetracyclines, macrolides, antimalarial agents, sulfones, and antiparasitic agents suppress neuroinflammation, oxidative stress, and apoptosis while preserving mitochondrial function and neurotransmission.
Mohammad Amin Manavi, Mohammadreza Salehi, Razieh Mohammad Jafari, Ramin Goudarzi, Saman Khosravi, Ahmad Reza Dehpour   +5 more
wiley   +1 more source

Allosteric Modulation of Cannabinoid Type 1 Receptor by ZCZ011: Integration of In Vitro Pharmacology and Molecular Dynamics Simulation. [PDF]

ACS Bio Med Chem Au
Yadav TC, Swaminathan LI, Chirasani VR, Wu Z, Lu D, Ignatowska-Jankowska BM, Lichtman AH, Fitting S, Yadav-Samudrala BJ.   +8 more
europepmc   +1 more source

Sodium Ions Affect GPR17 Conformational States and Functionality

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT Sodium is an allosteric modulator of several class‐A GPCR regulating active versus inactive conformation state and may be a critical issue for the optimization of crystallization procedures. Herein, the role of Na+ in the regulation of GPR17 conformational states was studied through MD simulations of GPR17 wild‐type and mutated on two ...
Luca Palazzolo, Simona Daniele, Davide Bianchi, Lara Russo, Stefano Capaldi, Maria Letizia Trincavelli, Ivano Eberini   +6 more
wiley   +1 more source

Allosteric modulation and direct activation of glycine receptors by a tricyclic sulfonamide. [PDF]

Sci Rep
Lara CO, Burgos CF, Fariña-Oliva K, Marileo AM, Martín VPS, Flaig D, Soto-Ortega P, Contreras OV, Sazo A, Gaete-Riquelme K, Corradi J, Muñoz-Montesino C, Fuentealba J, Castro PA, Aguayo LG, Bouzat C, Moraga-Cid G, Yévenes GE.   +17 more
europepmc   +1 more source

Distinct Conformational Switches Control WPD‐Loop Dynamics Across Protein Tyrosine Phosphatase Subfamilies

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT Protein Tyrosine Phosphatases (PTPs) regulate cellular signaling by balancing phosphotyrosine levels through a conserved WPD‐loop that switches between open (inactive) and closed (active) conformations. While this conformational change is crucial for catalysis, the structural factors governing this motion remain poorly understood.
Colin L. Welsh, Lalima K. Madan
wiley   +1 more source

Allosteric Modulation of SERCA Pumps in Health and Disease: Structural Dynamics, Posttranslational Modifications, and Therapeutic Potential. [PDF]

J Mol Biol
Viskupicova J, Espinoza-Fonseca LM.
europepmc   +1 more source

The Histidine 382 Residue Influences the Thermal Stability and Binding Propensity of the E2 Domain of Amyloid Precursor Protein

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT The E2 domain of amyloid precursor protein (APP_E2) plays a central role in the protein's function. We reinvestigate how the missense mutation, ΔH382L, affects the domain's thermal stability and ligand binding propensity through differential scanning fluorometry.
Sphamandla Ndlovu, Candice Ngubane, Zamaxasibe Nxele, Raymond Hewer, Alexandré Delport   +4 more
wiley   +1 more source

Enantiospecific Positive Allosteric Modulation of α4β2 Nicotinic Receptor Subtypes. [PDF]

ACS Chem Neurosci
Gaona J, Gadekar PK, Abdelwahed KS, Sanchez NE, Rolling A, Beaudoin R, Bill B, Kerr AT, Thakur GA, Hamouda AK.   +9 more
europepmc   +1 more source

Temporal Hydrogen‐Bond Network Analysis Reveals Substrate‐Directed Connectivity in Dihydrofolate Reductase

Proteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT Hydrogen‐bond networks are central to protein function, but most network analyses rely on static representations that neglect how interactions evolve in time. Here, we introduce a framework that combines instantaneous and temporal graph analysis of hydrogen‐bond networks derived from molecular dynamics (MD) trajectories to quantify ligand ...
Tandac F. Guclu, Canan Atilgan, Ali Rana Atilgan   +2 more
wiley   +1 more source